N-[2-[(1-pyridin-2-ylpiperidin-4-yl)carbamoylamino]propyl]acetamide

C16H25N5O2 — CID 143220536

IUPACN-[2-[(1-pyridin-2-ylpiperidin-4-yl)carbamoylamino]propyl]acetamide
SMILESCC(=O)NCC(C)NC(=O)NC1CCN(c2ccccn2)CC1
InChIInChI=1S/C16H25N5O2/c1-12(11-18-13(2)22)19-16(23)20-14-6-9-21(10-7-14)15-5-3-4-8-17-15/h3-5,8,12,14H,6-7,9-11H2,1-2H3,(H,18,22)(H2,19,20,23)
InChIKeyZKQMIGZTUFQUEU-UHFFFAOYSA-N
MW319.41 g/mol
LogP0.87
Rot. Bonds5

About N-[2-[(1-pyridin-2-ylpiperidin-4-yl)carbamoylamino]propyl]acetamide

N-[2-[(1-pyridin-2-ylpiperidin-4-yl)carbamoylamino]propyl]acetamide (PubChem CID 143220536) has the molecular formula C16H25N5O2 and a molecular weight of 319.41 g/mol. Its IUPAC name is N-[2-[(1-pyridin-2-ylpiperidin-4-yl)carbamoylamino]propyl]acetamide.

Molecular Properties

Compound NameN-[2-[(1-pyridin-2-ylpiperidin-4-yl)carbamoylamino]propyl]acetamide
PubChem CID143220536
Molecular FormulaC16H25N5O2
Molecular Weight319.41 g/mol
Exact Mass319.20
IUPAC NameN-[2-[(1-pyridin-2-ylpiperidin-4-yl)carbamoylamino]propyl]acetamide
SMILESCC(=O)NCC(C)NC(=O)NC1CCN(c2ccccn2)CC1
InChIInChI=1S/C16H25N5O2/c1-12(11-18-13(2)22)19-16(23)20-14-6-9-21(10-7-14)15-5-3-4-8-17-15/h3-5,8,12,14H,6-7,9-11H2,1-2H3,(H,18,22)(H2,19,20,23)
InChIKeyZKQMIGZTUFQUEU-UHFFFAOYSA-N
XLogP0.87
TPSA86.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2R)-butan-2-yl]-3-(1-pyridin-2-ylpiperidin-4-yl)urea
CID 94148159
1-[(2R)-1-morpholin-4-ylpropan-2-yl]-3-(1-pyridin-2-ylpiperidin-4-yl)urea
CID 94171475
1-(1-hydroxy-4-methylpentan-3-yl)-3-(1-pyridin-2-ylpiperidin-4-yl)urea
CID 111504795
1-(3-hydroxybutyl)-3-(1-pyridin-2-ylpiperidin-4-yl)urea
CID 111337198
3-oxo-N-(1-pyridin-2-ylpiperidin-4-yl)butanamide
CID 61250819
2-[(1-pyridin-2-ylpiperidin-4-yl)carbamoylamino]ethylcarbamic acid
CID 69019671
2,2-difluoro-N-(1-pyridin-2-ylpiperidin-4-yl)acetamide
CID 103514862
5-amino-4-methyl-N-(1-pyridin-2-ylpiperidin-4-yl)pentanamide
CID 82013435
1-[2-(2-methylpropoxy)phenyl]-3-(1-pyridin-2-ylpiperidin-4-yl)urea
CID 87010573
1-(2-methylcyclopentyl)-3-(1-pyridin-2-ylpiperidin-4-yl)urea
CID 56826840
3-amino-4-oxo-4-[(1-pyridin-2-ylpiperidin-4-yl)amino]butanoic acid
CID 64895091
(2R)-2-[(1-pyridin-2-ylpiperidin-4-yl)amino]propan-1-ol
CID 113260445

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1-pyridin-2-ylpiperidin-4-yl)carbamoylamino]propyl]acetamide?
The IUPAC name of N-[2-[(1-pyridin-2-ylpiperidin-4-yl)carbamoylamino]propyl]acetamide (CID 143220536) is N-[2-[(1-pyridin-2-ylpiperidin-4-yl)carbamoylamino]propyl]acetamide.
What is the SMILES notation for N-[2-[(1-pyridin-2-ylpiperidin-4-yl)carbamoylamino]propyl]acetamide?
The canonical SMILES for N-[2-[(1-pyridin-2-ylpiperidin-4-yl)carbamoylamino]propyl]acetamide is CC(=O)NCC(C)NC(=O)NC1CCN(c2ccccn2)CC1.
What is the InChIKey of N-[2-[(1-pyridin-2-ylpiperidin-4-yl)carbamoylamino]propyl]acetamide?
The InChIKey is ZKQMIGZTUFQUEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O2/c1-12(11-18-13(2)22)19-16(23)20-14-6-9-21(10-7-14)15-5-3-4-8-17-15/h3-5,8,12,14H,6-7,9-11H2,1-2H3,(H,18,22)(H2,19,20,23).
What are the key properties of N-[2-[(1-pyridin-2-ylpiperidin-4-yl)carbamoylamino]propyl]acetamide?
N-[2-[(1-pyridin-2-ylpiperidin-4-yl)carbamoylamino]propyl]acetamide has a molecular weight of 319.41 g/mol, XLogP of 0.87, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1-pyridin-2-ylpiperidin-4-yl)carbamoylamino]propyl]acetamide is sourced from PubChem (CID 143220536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).