1-[3-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]piperidin-1-yl]-2-methylbutan-1-one

C20H35N3O2 — CID 119622385

IUPAC1-[3-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]piperidin-1-yl]-2-methylbutan-1-one
SMILESCCC(C)C(=O)N1CCCC(C(=O)N2CCC(NCC3CC3)CC2)C1
InChIInChI=1S/C20H35N3O2/c1-3-15(2)19(24)23-10-4-5-17(14-23)20(25)22-11-8-18(9-12-22)21-13-16-6-7-16/h15-18,21H,3-14H2,1-2H3
InChIKeyANJQQQZGGMRECV-UHFFFAOYSA-N
MW349.52 g/mol
LogP2.26
Rot. Bonds6

About 1-[3-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]piperidin-1-yl]-2-methylbutan-1-one

1-[3-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]piperidin-1-yl]-2-methylbutan-1-one (PubChem CID 119622385) has the molecular formula C20H35N3O2 and a molecular weight of 349.52 g/mol. Its IUPAC name is 1-[3-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]piperidin-1-yl]-2-methylbutan-1-one.

Molecular Properties

Compound Name1-[3-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]piperidin-1-yl]-2-methylbutan-1-one
PubChem CID119622385
Molecular FormulaC20H35N3O2
Molecular Weight349.52 g/mol
Exact Mass349.27
IUPAC Name1-[3-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]piperidin-1-yl]-2-methylbutan-1-one
SMILESCCC(C)C(=O)N1CCCC(C(=O)N2CCC(NCC3CC3)CC2)C1
InChIInChI=1S/C20H35N3O2/c1-3-15(2)19(24)23-10-4-5-17(14-23)20(25)22-11-8-18(9-12-22)21-13-16-6-7-16/h15-18,21H,3-14H2,1-2H3
InChIKeyANJQQQZGGMRECV-UHFFFAOYSA-N
XLogP2.26
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.52
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1-[3-[4-(methylamino)piperidine-1-carbonyl]piperidin-1-yl]butan-1-one
CID 119560583
1-[3-[4-(1-aminoethyl)piperidine-1-carbonyl]piperidin-1-yl]-2-methylbutan-1-one
CID 119517575
cycloheptyl-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
CID 81483591
(3S)-1-(2-methylbutanoyl)piperidine-3-carboxylic acid
CID 81120837
cyclopropyl-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
CID 43747911
3-cyclohexyl-1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-methylpropan-1-one;hydrochloride
CID 119623980
[4-(cyclopropylmethylamino)piperidin-1-yl]-piperidin-1-ylmethanone
CID 115307169
[4-(cyclopropylmethylamino)piperidin-1-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone;hydrochloride
CID 119623859
2-methyl-1-[3-(3-piperazin-1-ylpyrrolidine-1-carbonyl)piperidin-1-yl]butan-1-one
CID 120997739
1-[3-[2-(aminomethyl)piperidine-1-carbonyl]piperidin-1-yl]-2-methylbutan-1-one
CID 119466888
N-(4-aminocyclohexyl)-1-(2-methylbutanoyl)piperidine-3-carboxamide;hydrochloride
CID 119475324
[4-(cyclopropylmethylamino)piperidin-1-yl]-pyrrolidin-1-ylmethanone
CID 115307161

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]piperidin-1-yl]-2-methylbutan-1-one?
The IUPAC name of 1-[3-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]piperidin-1-yl]-2-methylbutan-1-one (CID 119622385) is 1-[3-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]piperidin-1-yl]-2-methylbutan-1-one.
What is the SMILES notation for 1-[3-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]piperidin-1-yl]-2-methylbutan-1-one?
The canonical SMILES for 1-[3-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]piperidin-1-yl]-2-methylbutan-1-one is CCC(C)C(=O)N1CCCC(C(=O)N2CCC(NCC3CC3)CC2)C1.
What is the InChIKey of 1-[3-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]piperidin-1-yl]-2-methylbutan-1-one?
The InChIKey is ANJQQQZGGMRECV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N3O2/c1-3-15(2)19(24)23-10-4-5-17(14-23)20(25)22-11-8-18(9-12-22)21-13-16-6-7-16/h15-18,21H,3-14H2,1-2H3.
What are the key properties of 1-[3-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]piperidin-1-yl]-2-methylbutan-1-one?
1-[3-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]piperidin-1-yl]-2-methylbutan-1-one has a molecular weight of 349.52 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]piperidin-1-yl]-2-methylbutan-1-one is sourced from PubChem (CID 119622385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).