3-[3-(cyclopropylmethoxy)propylcarbamoylamino]-4-piperidin-1-ylbenzamide

C20H30N4O3 — CID 47818496

IUPAC3-[3-(cyclopropylmethoxy)propylcarbamoylamino]-4-piperidin-1-ylbenzamide
SMILESNC(=O)c1ccc(N2CCCCC2)c(NC(=O)NCCCOCC2CC2)c1
InChIInChI=1S/C20H30N4O3/c21-19(25)16-7-8-18(24-10-2-1-3-11-24)17(13-16)23-20(26)22-9-4-12-27-14-15-5-6-15/h7-8,13,15H,1-6,9-12,14H2,(H2,21,25)(H2,22,23,26)
InChIKeyFZBALGLGGDDHQA-UHFFFAOYSA-N
MW374.49 g/mol
LogP2.71
Rot. Bonds9

About 3-[3-(cyclopropylmethoxy)propylcarbamoylamino]-4-piperidin-1-ylbenzamide

3-[3-(cyclopropylmethoxy)propylcarbamoylamino]-4-piperidin-1-ylbenzamide (PubChem CID 47818496) has the molecular formula C20H30N4O3 and a molecular weight of 374.49 g/mol. Its IUPAC name is 3-[3-(cyclopropylmethoxy)propylcarbamoylamino]-4-piperidin-1-ylbenzamide.

Molecular Properties

Compound Name3-[3-(cyclopropylmethoxy)propylcarbamoylamino]-4-piperidin-1-ylbenzamide
PubChem CID47818496
Molecular FormulaC20H30N4O3
Molecular Weight374.49 g/mol
Exact Mass374.23
IUPAC Name3-[3-(cyclopropylmethoxy)propylcarbamoylamino]-4-piperidin-1-ylbenzamide
SMILESNC(=O)c1ccc(N2CCCCC2)c(NC(=O)NCCCOCC2CC2)c1
InChIInChI=1S/C20H30N4O3/c21-19(25)16-7-8-18(24-10-2-1-3-11-24)17(13-16)23-20(26)22-9-4-12-27-14-15-5-6-15/h7-8,13,15H,1-6,9-12,14H2,(H2,21,25)(H2,22,23,26)
InChIKeyFZBALGLGGDDHQA-UHFFFAOYSA-N
XLogP2.71
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 3-(4-ethoxybutylcarbamoylamino)-4-pyrrolidin-1-ylbenzoate
CID 51118623
3-[[4-(ethoxymethyl)phenyl]methylcarbamoylamino]-4-piperidin-1-ylbenzamide
CID 48768021
3-[(4-chlorophenyl)methylcarbamoylamino]-4-piperidin-1-ylbenzamide
CID 47818113
methyl 3-[3-(cyclopropylmethoxy)propylcarbamoylamino]-4-fluorobenzoate
CID 86994017
1-(3-methyl-4-pyrrolidin-1-ylphenyl)-3-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]urea
CID 95595268
3-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoylamino]-4-piperidin-1-ylbenzamide
CID 47075949
3-[[2-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]acetyl]amino]-4-piperidin-1-ylbenzamide
CID 51631214
4-(4-benzylpiperidin-1-yl)-3-(hydrazinecarbonylamino)benzamide
CID 11280085
3-[(4-methylbenzoyl)amino]-4-pyrrolidin-1-ylbenzamide
CID 17470127
3-[[2-(4-iodophenoxy)acetyl]amino]-4-piperidin-1-ylbenzamide
CID 55553639
N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)-5-cyclohexylfuran-2-carboxamide
CID 167756186
(2S,5R)-5-(aminomethyl)-N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)oxolane-2-carboxamide
CID 120784950

Frequently Asked Questions

What is the IUPAC name of 3-[3-(cyclopropylmethoxy)propylcarbamoylamino]-4-piperidin-1-ylbenzamide?
The IUPAC name of 3-[3-(cyclopropylmethoxy)propylcarbamoylamino]-4-piperidin-1-ylbenzamide (CID 47818496) is 3-[3-(cyclopropylmethoxy)propylcarbamoylamino]-4-piperidin-1-ylbenzamide.
What is the SMILES notation for 3-[3-(cyclopropylmethoxy)propylcarbamoylamino]-4-piperidin-1-ylbenzamide?
The canonical SMILES for 3-[3-(cyclopropylmethoxy)propylcarbamoylamino]-4-piperidin-1-ylbenzamide is NC(=O)c1ccc(N2CCCCC2)c(NC(=O)NCCCOCC2CC2)c1.
What is the InChIKey of 3-[3-(cyclopropylmethoxy)propylcarbamoylamino]-4-piperidin-1-ylbenzamide?
The InChIKey is FZBALGLGGDDHQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O3/c21-19(25)16-7-8-18(24-10-2-1-3-11-24)17(13-16)23-20(26)22-9-4-12-27-14-15-5-6-15/h7-8,13,15H,1-6,9-12,14H2,(H2,21,25)(H2,22,23,26).
What are the key properties of 3-[3-(cyclopropylmethoxy)propylcarbamoylamino]-4-piperidin-1-ylbenzamide?
3-[3-(cyclopropylmethoxy)propylcarbamoylamino]-4-piperidin-1-ylbenzamide has a molecular weight of 374.49 g/mol, XLogP of 2.71, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(cyclopropylmethoxy)propylcarbamoylamino]-4-piperidin-1-ylbenzamide is sourced from PubChem (CID 47818496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).