N-butan-2-yl-5-[[4-[4-(cyclopropylmethylcarbamoylamino)benzoyl]piperazin-1-yl]methyl]furan-2-carboxamide

C26H35N5O4 — CID 66661237

IUPACN-butan-2-yl-5-[[4-[4-(cyclopropylmethylcarbamoylamino)benzoyl]piperazin-1-yl]methyl]furan-2-carboxamide
SMILESCCC(C)NC(=O)c1ccc(CN2CCN(C(=O)c3ccc(NC(=O)NCC4CC4)cc3)CC2)o1
InChIInChI=1S/C26H35N5O4/c1-3-18(2)28-24(32)23-11-10-22(35-23)17-30-12-14-31(15-13-30)25(33)20-6-8-21(9-7-20)29-26(34)27-16-19-4-5-19/h6-11,18-19H,3-5,12-17H2,1-2H3,(H,28,32)(H2,27,29,34)
InChIKeyWSBMSOIPIAMUCR-UHFFFAOYSA-N
MW481.60 g/mol
LogP3.30
Rot. Bonds9

About N-butan-2-yl-5-[[4-[4-(cyclopropylmethylcarbamoylamino)benzoyl]piperazin-1-yl]methyl]furan-2-carboxamide

N-butan-2-yl-5-[[4-[4-(cyclopropylmethylcarbamoylamino)benzoyl]piperazin-1-yl]methyl]furan-2-carboxamide (PubChem CID 66661237) has the molecular formula C26H35N5O4 and a molecular weight of 481.60 g/mol. Its IUPAC name is N-butan-2-yl-5-[[4-[4-(cyclopropylmethylcarbamoylamino)benzoyl]piperazin-1-yl]methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-5-[[4-[4-(cyclopropylmethylcarbamoylamino)benzoyl]piperazin-1-yl]methyl]furan-2-carboxamide
PubChem CID66661237
Molecular FormulaC26H35N5O4
Molecular Weight481.60 g/mol
Exact Mass481.27
IUPAC NameN-butan-2-yl-5-[[4-[4-(cyclopropylmethylcarbamoylamino)benzoyl]piperazin-1-yl]methyl]furan-2-carboxamide
SMILESCCC(C)NC(=O)c1ccc(CN2CCN(C(=O)c3ccc(NC(=O)NCC4CC4)cc3)CC2)o1
InChIInChI=1S/C26H35N5O4/c1-3-18(2)28-24(32)23-11-10-22(35-23)17-30-12-14-31(15-13-30)25(33)20-6-8-21(9-7-20)29-26(34)27-16-19-4-5-19/h6-11,18-19H,3-5,12-17H2,1-2H3,(H,28,32)(H2,27,29,34)
InChIKeyWSBMSOIPIAMUCR-UHFFFAOYSA-N
XLogP3.30
TPSA106.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.60
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-butan-2-yl-5-[[4-[4-(cyclopropylmethylcarbamoylamino)benzoyl]piperazin-1-yl]methyl]furan-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

methyl 4-[[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methylcarbamoylamino]benzoate
CID 118789012
N-[[1-[4-(propan-2-ylcarbamoylamino)benzoyl]piperidin-4-yl]methyl]acetamide
CID 55843750
1-[4-[4-(ethylaminomethyl)piperidine-1-carbonyl]phenyl]-3-propan-2-ylurea
CID 119646975
1-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-3-(4-ethylphenyl)urea
CID 23609169
2-[[4-[4-(cyclopropylmethylcarbamoylamino)-3-fluorobenzoyl]piperazin-1-yl]methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 70909383
ethyl N-[4-[4-[(4-propan-2-ylphenyl)methyl]piperazine-1-carbonyl]phenyl]carbamate
CID 9183800
1-(4-ethoxyphenyl)-3-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]urea
CID 121108693
1-(cyclopropylmethyl)-3-[4-[4-[1-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]butyl]piperazine-1-carbonyl]phenyl]urea
CID 154331587
N-(cyclopropylmethyl)-2-[4-[4-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]piperazine-1-carbonyl]phenyl]acetamide
CID 59175900
5-[(4-propylpiperazin-1-yl)methyl]furan-2-carbohydrazide
CID 55214583
5-[(4-butan-2-ylpiperazin-1-yl)methyl]furan-2-carboxylic acid
CID 62772481
N-butan-2-yl-4-[[2-[4-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]benzamide
CID 54834706

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-5-[[4-[4-(cyclopropylmethylcarbamoylamino)benzoyl]piperazin-1-yl]methyl]furan-2-carboxamide?
The IUPAC name of N-butan-2-yl-5-[[4-[4-(cyclopropylmethylcarbamoylamino)benzoyl]piperazin-1-yl]methyl]furan-2-carboxamide (CID 66661237) is N-butan-2-yl-5-[[4-[4-(cyclopropylmethylcarbamoylamino)benzoyl]piperazin-1-yl]methyl]furan-2-carboxamide.
What is the SMILES notation for N-butan-2-yl-5-[[4-[4-(cyclopropylmethylcarbamoylamino)benzoyl]piperazin-1-yl]methyl]furan-2-carboxamide?
The canonical SMILES for N-butan-2-yl-5-[[4-[4-(cyclopropylmethylcarbamoylamino)benzoyl]piperazin-1-yl]methyl]furan-2-carboxamide is CCC(C)NC(=O)c1ccc(CN2CCN(C(=O)c3ccc(NC(=O)NCC4CC4)cc3)CC2)o1.
What is the InChIKey of N-butan-2-yl-5-[[4-[4-(cyclopropylmethylcarbamoylamino)benzoyl]piperazin-1-yl]methyl]furan-2-carboxamide?
The InChIKey is WSBMSOIPIAMUCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N5O4/c1-3-18(2)28-24(32)23-11-10-22(35-23)17-30-12-14-31(15-13-30)25(33)20-6-8-21(9-7-20)29-26(34)27-16-19-4-5-19/h6-11,18-19H,3-5,12-17H2,1-2H3,(H,28,32)(H2,27,29,34).
What are the key properties of N-butan-2-yl-5-[[4-[4-(cyclopropylmethylcarbamoylamino)benzoyl]piperazin-1-yl]methyl]furan-2-carboxamide?
N-butan-2-yl-5-[[4-[4-(cyclopropylmethylcarbamoylamino)benzoyl]piperazin-1-yl]methyl]furan-2-carboxamide has a molecular weight of 481.60 g/mol, XLogP of 3.30, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-5-[[4-[4-(cyclopropylmethylcarbamoylamino)benzoyl]piperazin-1-yl]methyl]furan-2-carboxamide is sourced from PubChem (CID 66661237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).