N-[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]but-2-ynamide

C14H21N3O2 — CID 146075822

IUPACN-[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]but-2-ynamide
SMILESCC#CC(=O)NC1CCCN(C(=O)N2CCCC2)C1
InChIInChI=1S/C14H21N3O2/c1-2-6-13(18)15-12-7-5-10-17(11-12)14(19)16-8-3-4-9-16/h12H,3-5,7-11H2,1H3,(H,15,18)
InChIKeyKXZPHMKGILCWOF-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.81
Rot. Bonds1

About N-[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]but-2-ynamide

N-[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]but-2-ynamide (PubChem CID 146075822) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]but-2-ynamide.

Molecular Properties

Compound NameN-[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]but-2-ynamide
PubChem CID146075822
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC NameN-[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]but-2-ynamide
SMILESCC#CC(=O)NC1CCCN(C(=O)N2CCCC2)C1
InChIInChI=1S/C14H21N3O2/c1-2-6-13(18)15-12-7-5-10-17(11-12)14(19)16-8-3-4-9-16/h12H,3-5,7-11H2,1H3,(H,15,18)
InChIKeyKXZPHMKGILCWOF-UHFFFAOYSA-N
XLogP0.81
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(cyclobutanecarbonyl)piperidin-3-yl]but-2-ynamide
CID 166418556
[3-(methylamino)piperidin-1-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone;hydrochloride
CID 119491186
7-methyl-N-[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]-2,3-dihydro-1H-indene-4-carboxamide
CID 128582261
N-[1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]but-2-ynamide
CID 146083594
[4-(methylamino)piperidin-1-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]methanone;hydrochloride
CID 119563390
methyl 1-(azepane-1-carbonyl)piperidine-3-carboxylate
CID 113330700
N-(1-prop-2-enoylpiperidin-3-yl)acetamide
CID 60949044
5-methyl-N-[(3S)-1-(pyrrolidine-1-carbonyl)azepan-3-yl]-1,2-oxazole-3-carboxamide
CID 96576211
(3-aminopiperidin-1-yl)-pyrrolidin-1-ylmethanone
CID 79161440
cyclopropyl-[(3S)-3-(methylamino)piperidin-1-yl]methanone
CID 94475773
[4-(ethylamino)piperidin-1-yl]-(3-methylpiperidin-1-yl)methanone
CID 79152580
3-(methoxycarbonylamino)piperidine-1-carboxylic acid
CID 174735066

Frequently Asked Questions

What is the IUPAC name of N-[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]but-2-ynamide?
The IUPAC name of N-[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]but-2-ynamide (CID 146075822) is N-[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]but-2-ynamide.
What is the SMILES notation for N-[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]but-2-ynamide?
The canonical SMILES for N-[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]but-2-ynamide is CC#CC(=O)NC1CCCN(C(=O)N2CCCC2)C1.
What is the InChIKey of N-[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]but-2-ynamide?
The InChIKey is KXZPHMKGILCWOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-2-6-13(18)15-12-7-5-10-17(11-12)14(19)16-8-3-4-9-16/h12H,3-5,7-11H2,1H3,(H,15,18).
What are the key properties of N-[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]but-2-ynamide?
N-[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]but-2-ynamide has a molecular weight of 263.34 g/mol, XLogP of 0.81, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]but-2-ynamide is sourced from PubChem (CID 146075822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).