N-[[1-[4-(propan-2-ylcarbamoylamino)benzoyl]piperidin-4-yl]methyl]acetamide

C19H28N4O3 — CID 55843750

IUPACN-[[1-[4-(propan-2-ylcarbamoylamino)benzoyl]piperidin-4-yl]methyl]acetamide
SMILESCC(=O)NCC1CCN(C(=O)c2ccc(NC(=O)NC(C)C)cc2)CC1
InChIInChI=1S/C19H28N4O3/c1-13(2)21-19(26)22-17-6-4-16(5-7-17)18(25)23-10-8-15(9-11-23)12-20-14(3)24/h4-7,13,15H,8-12H2,1-3H3,(H,20,24)(H2,21,22,26)
InChIKeyGBPNQQONVLAHAJ-UHFFFAOYSA-N
MW360.46 g/mol
LogP2.20
Rot. Bonds5

About N-[[1-[4-(propan-2-ylcarbamoylamino)benzoyl]piperidin-4-yl]methyl]acetamide

N-[[1-[4-(propan-2-ylcarbamoylamino)benzoyl]piperidin-4-yl]methyl]acetamide (PubChem CID 55843750) has the molecular formula C19H28N4O3 and a molecular weight of 360.46 g/mol. Its IUPAC name is N-[[1-[4-(propan-2-ylcarbamoylamino)benzoyl]piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[1-[4-(propan-2-ylcarbamoylamino)benzoyl]piperidin-4-yl]methyl]acetamide
PubChem CID55843750
Molecular FormulaC19H28N4O3
Molecular Weight360.46 g/mol
Exact Mass360.22
IUPAC NameN-[[1-[4-(propan-2-ylcarbamoylamino)benzoyl]piperidin-4-yl]methyl]acetamide
SMILESCC(=O)NCC1CCN(C(=O)c2ccc(NC(=O)NC(C)C)cc2)CC1
InChIInChI=1S/C19H28N4O3/c1-13(2)21-19(26)22-17-6-4-16(5-7-17)18(25)23-10-8-15(9-11-23)12-20-14(3)24/h4-7,13,15H,8-12H2,1-3H3,(H,20,24)(H2,21,22,26)
InChIKeyGBPNQQONVLAHAJ-UHFFFAOYSA-N
XLogP2.20
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[4-(ethylaminomethyl)piperidine-1-carbonyl]phenyl]-3-propan-2-ylurea
CID 119646975
2-[1-[4-(propan-2-ylcarbamoylamino)benzoyl]piperidin-4-yl]acetic acid
CID 119178659
1-[4-[(3R)-3-aminopyrrolidine-1-carbonyl]phenyl]-3-propan-2-ylurea
CID 119412031
N-[4-[4-(methylaminomethyl)piperidine-1-carbonyl]phenyl]acetamide;hydrochloride
CID 119542570
1-[4-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]phenyl]-3-propan-2-ylurea
CID 120657026
N-[[1-(3,4-dihydroxybenzoyl)piperidin-4-yl]methyl]acetamide
CID 103956700
1-[4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenyl]-3-propan-2-ylurea;hydrochloride
CID 120814203
N-[[1-(4-amino-3-hydroxybenzoyl)piperidin-4-yl]methyl]acetamide
CID 102739429
N-(cyclohexylmethyl)-1-[4-(2,2-dimethylpropanoylamino)benzoyl]piperidine-4-carboxamide
CID 20972987
1-(4-ethoxyphenyl)-3-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]urea
CID 121108693
N-[4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]acetamide;hydrochloride
CID 119538355
1-[4-(4-methylpiperidine-1-carbonyl)phenyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea
CID 60545834

Frequently Asked Questions

What is the IUPAC name of N-[[1-[4-(propan-2-ylcarbamoylamino)benzoyl]piperidin-4-yl]methyl]acetamide?
The IUPAC name of N-[[1-[4-(propan-2-ylcarbamoylamino)benzoyl]piperidin-4-yl]methyl]acetamide (CID 55843750) is N-[[1-[4-(propan-2-ylcarbamoylamino)benzoyl]piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for N-[[1-[4-(propan-2-ylcarbamoylamino)benzoyl]piperidin-4-yl]methyl]acetamide?
The canonical SMILES for N-[[1-[4-(propan-2-ylcarbamoylamino)benzoyl]piperidin-4-yl]methyl]acetamide is CC(=O)NCC1CCN(C(=O)c2ccc(NC(=O)NC(C)C)cc2)CC1.
What is the InChIKey of N-[[1-[4-(propan-2-ylcarbamoylamino)benzoyl]piperidin-4-yl]methyl]acetamide?
The InChIKey is GBPNQQONVLAHAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O3/c1-13(2)21-19(26)22-17-6-4-16(5-7-17)18(25)23-10-8-15(9-11-23)12-20-14(3)24/h4-7,13,15H,8-12H2,1-3H3,(H,20,24)(H2,21,22,26).
What are the key properties of N-[[1-[4-(propan-2-ylcarbamoylamino)benzoyl]piperidin-4-yl]methyl]acetamide?
N-[[1-[4-(propan-2-ylcarbamoylamino)benzoyl]piperidin-4-yl]methyl]acetamide has a molecular weight of 360.46 g/mol, XLogP of 2.20, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[4-(propan-2-ylcarbamoylamino)benzoyl]piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 55843750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).