N-butan-2-yl-2-[(3-piperidin-1-ylphenyl)carbamoylamino]propanamide

C19H30N4O2 — CID 86862541

IUPACN-butan-2-yl-2-[(3-piperidin-1-ylphenyl)carbamoylamino]propanamide
SMILESCCC(C)NC(=O)C(C)NC(=O)Nc1cccc(N2CCCCC2)c1
InChIInChI=1S/C19H30N4O2/c1-4-14(2)20-18(24)15(3)21-19(25)22-16-9-8-10-17(13-16)23-11-6-5-7-12-23/h8-10,13-15H,4-7,11-12H2,1-3H3,(H,20,24)(H2,21,22,25)
InChIKeyRBYIRMWIVUSGGW-UHFFFAOYSA-N
MW346.48 g/mol
LogP3.10
Rot. Bonds6

About N-butan-2-yl-2-[(3-piperidin-1-ylphenyl)carbamoylamino]propanamide

N-butan-2-yl-2-[(3-piperidin-1-ylphenyl)carbamoylamino]propanamide (PubChem CID 86862541) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is N-butan-2-yl-2-[(3-piperidin-1-ylphenyl)carbamoylamino]propanamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[(3-piperidin-1-ylphenyl)carbamoylamino]propanamide
PubChem CID86862541
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC NameN-butan-2-yl-2-[(3-piperidin-1-ylphenyl)carbamoylamino]propanamide
SMILESCCC(C)NC(=O)C(C)NC(=O)Nc1cccc(N2CCCCC2)c1
InChIInChI=1S/C19H30N4O2/c1-4-14(2)20-18(24)15(3)21-19(25)22-16-9-8-10-17(13-16)23-11-6-5-7-12-23/h8-10,13-15H,4-7,11-12H2,1-3H3,(H,20,24)(H2,21,22,25)
InChIKeyRBYIRMWIVUSGGW-UHFFFAOYSA-N
XLogP3.10
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-(3-piperidin-1-ylphenyl)propanamide
CID 47379438
tert-butyl (2S)-2-[(3-pyrrolidin-1-ylphenyl)carbamoylamino]propanoate
CID 122149276
3,3,3-trifluoro-N-[(2S)-1-oxo-1-(3-pyrrolidin-1-ylanilino)propan-2-yl]propanamide
CID 124626431
(2S)-2-amino-4-methyl-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)propan-2-yl]pentanamide
CID 119872849
3-[[(2R)-1-[[(2S)-butan-2-yl]amino]-1-oxopropan-2-yl]carbamoylamino]-N-ethylbenzamide
CID 95239252
(2S)-2-amino-N-[3-(azepan-1-yl)phenyl]-4-methylpentanamide
CID 119892187
1-(3-methylbutyl)-3-(3-pyrrolidin-1-ylphenyl)urea
CID 52738068
(2R)-N-[(2R)-butan-2-yl]-2-[[3-(propan-2-yloxymethyl)phenyl]carbamoylamino]propanamide
CID 94962174
4-(3-acetamidophenyl)-N-butan-2-ylpiperazine-1-carboxamide
CID 113104364
2-[[2-(4-aminophenyl)acetyl]amino]-N-(3-pyrrolidin-1-ylphenyl)propanamide
CID 119872791
(2S)-2-amino-4-methyl-N-(3-pyrrolidin-1-ylphenyl)pentanamide
CID 61179793
1-[3-(4-acetylpiperazin-1-yl)phenyl]-3-[(3S)-hex-5-en-3-yl]urea
CID 129480794

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[(3-piperidin-1-ylphenyl)carbamoylamino]propanamide?
The IUPAC name of N-butan-2-yl-2-[(3-piperidin-1-ylphenyl)carbamoylamino]propanamide (CID 86862541) is N-butan-2-yl-2-[(3-piperidin-1-ylphenyl)carbamoylamino]propanamide.
What is the SMILES notation for N-butan-2-yl-2-[(3-piperidin-1-ylphenyl)carbamoylamino]propanamide?
The canonical SMILES for N-butan-2-yl-2-[(3-piperidin-1-ylphenyl)carbamoylamino]propanamide is CCC(C)NC(=O)C(C)NC(=O)Nc1cccc(N2CCCCC2)c1.
What is the InChIKey of N-butan-2-yl-2-[(3-piperidin-1-ylphenyl)carbamoylamino]propanamide?
The InChIKey is RBYIRMWIVUSGGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-4-14(2)20-18(24)15(3)21-19(25)22-16-9-8-10-17(13-16)23-11-6-5-7-12-23/h8-10,13-15H,4-7,11-12H2,1-3H3,(H,20,24)(H2,21,22,25).
What are the key properties of N-butan-2-yl-2-[(3-piperidin-1-ylphenyl)carbamoylamino]propanamide?
N-butan-2-yl-2-[(3-piperidin-1-ylphenyl)carbamoylamino]propanamide has a molecular weight of 346.48 g/mol, XLogP of 3.10, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[(3-piperidin-1-ylphenyl)carbamoylamino]propanamide is sourced from PubChem (CID 86862541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).