N-[3-(butan-2-ylamino)-3-oxopropyl]piperidine-2-carboxamide

C13H25N3O2 — CID 54901064

IUPACN-[3-(butan-2-ylamino)-3-oxopropyl]piperidine-2-carboxamide
SMILESCCC(C)NC(=O)CCNC(=O)C1CCCCN1
InChIInChI=1S/C13H25N3O2/c1-3-10(2)16-12(17)7-9-15-13(18)11-6-4-5-8-14-11/h10-11,14H,3-9H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyPVWHMNXVMWWQAI-UHFFFAOYSA-N
MW255.36 g/mol
LogP0.55
Rot. Bonds6

About N-[3-(butan-2-ylamino)-3-oxopropyl]piperidine-2-carboxamide

N-[3-(butan-2-ylamino)-3-oxopropyl]piperidine-2-carboxamide (PubChem CID 54901064) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is N-[3-(butan-2-ylamino)-3-oxopropyl]piperidine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(butan-2-ylamino)-3-oxopropyl]piperidine-2-carboxamide
PubChem CID54901064
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC NameN-[3-(butan-2-ylamino)-3-oxopropyl]piperidine-2-carboxamide
SMILESCCC(C)NC(=O)CCNC(=O)C1CCCCN1
InChIInChI=1S/C13H25N3O2/c1-3-10(2)16-12(17)7-9-15-13(18)11-6-4-5-8-14-11/h10-11,14H,3-9H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyPVWHMNXVMWWQAI-UHFFFAOYSA-N
XLogP0.55
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-[3-(butan-2-ylamino)-3-oxopropyl]piperidine-2-carboxamide
CID 103809553
(2R)-N-[3-(butan-2-ylamino)-3-oxopropyl]piperidine-2-carboxamide;hydrochloride
CID 119737566
N-[3-(butan-2-ylamino)-3-oxopropyl]piperidine-4-carboxamide
CID 54901063
(2S)-N-(3-hydroxypentyl)piperidine-2-carboxamide
CID 103810229
(2R)-N-[3-(methylamino)-3-oxopropyl]pyrrolidine-2-carboxamide
CID 103795515
N-[2-(2-methylpropanoylamino)ethyl]azepane-2-carboxamide
CID 64564235
3-(piperidine-2-carbonylamino)propanoic acid
CID 61157644
N-butan-2-yl-3-[(2-pyrrolidin-2-ylacetyl)amino]propanamide;hydrochloride
CID 119737602
4-ethyl-6-[[(2S)-piperidine-2-carbonyl]amino]hexanoic acid
CID 104914026
(2R)-N-(3-hydroxybutyl)piperidine-2-carboxamide
CID 103808747
(2S)-N-[2-(2-methylpropanoylamino)ethyl]pyrrolidine-2-carboxamide
CID 61249248
2-[[3-(butan-2-ylamino)-3-oxopropyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 103978487

Frequently Asked Questions

What is the IUPAC name of N-[3-(butan-2-ylamino)-3-oxopropyl]piperidine-2-carboxamide?
The IUPAC name of N-[3-(butan-2-ylamino)-3-oxopropyl]piperidine-2-carboxamide (CID 54901064) is N-[3-(butan-2-ylamino)-3-oxopropyl]piperidine-2-carboxamide.
What is the SMILES notation for N-[3-(butan-2-ylamino)-3-oxopropyl]piperidine-2-carboxamide?
The canonical SMILES for N-[3-(butan-2-ylamino)-3-oxopropyl]piperidine-2-carboxamide is CCC(C)NC(=O)CCNC(=O)C1CCCCN1.
What is the InChIKey of N-[3-(butan-2-ylamino)-3-oxopropyl]piperidine-2-carboxamide?
The InChIKey is PVWHMNXVMWWQAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-3-10(2)16-12(17)7-9-15-13(18)11-6-4-5-8-14-11/h10-11,14H,3-9H2,1-2H3,(H,15,18)(H,16,17).
What are the key properties of N-[3-(butan-2-ylamino)-3-oxopropyl]piperidine-2-carboxamide?
N-[3-(butan-2-ylamino)-3-oxopropyl]piperidine-2-carboxamide has a molecular weight of 255.36 g/mol, XLogP of 0.55, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(butan-2-ylamino)-3-oxopropyl]piperidine-2-carboxamide is sourced from PubChem (CID 54901064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).