(2-amino-1-methylcyclopentyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone

C16H29N3O — CID 82767947

IUPAC(2-amino-1-methylcyclopentyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
SMILESCC1(C(=O)N2CCC(N3CCCC3)CC2)CCCC1N
InChIInChI=1S/C16H29N3O/c1-16(8-4-5-14(16)17)15(20)19-11-6-13(7-12-19)18-9-2-3-10-18/h13-14H,2-12,17H2,1H3
InChIKeyHNDFZXUPQFZUKR-UHFFFAOYSA-N
MW279.43 g/mol
LogP1.59
Rot. Bonds2

About (2-amino-1-methylcyclopentyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone

(2-amino-1-methylcyclopentyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone (PubChem CID 82767947) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is (2-amino-1-methylcyclopentyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2-amino-1-methylcyclopentyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
PubChem CID82767947
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Name(2-amino-1-methylcyclopentyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
SMILESCC1(C(=O)N2CCC(N3CCCC3)CC2)CCCC1N
InChIInChI=1S/C16H29N3O/c1-16(8-4-5-14(16)17)15(20)19-11-6-13(7-12-19)18-9-2-3-10-18/h13-14H,2-12,17H2,1H3
InChIKeyHNDFZXUPQFZUKR-UHFFFAOYSA-N
XLogP1.59
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-amino-1-methylcyclopentanecarbonyl)-N,N-dimethylpiperidine-4-carboxamide
CID 82763485
1-(2-amino-1-methylcyclopentanecarbonyl)pyrrolidine-3-carboxylic acid
CID 82768161
(4-amino-3-methyloxolan-3-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 66248492
(2-amino-1-methylcyclopentyl)-(3-azaspiro[5.5]undecan-3-yl)methanone
CID 82768525
(2-amino-1-methylcyclopentyl)-(4-ethylpiperazin-1-yl)methanone
CID 82765902
(2-amino-1-methylcyclopentyl)-(1,4-oxazepan-4-yl)methanone
CID 82767352
N-[[1-(2-amino-1-methylcyclopentanecarbonyl)piperidin-4-yl]methyl]acetamide
CID 102736190
(2-amino-1-methylcyclopentyl)-(4-phenylpiperidin-1-yl)methanone
CID 82764379
(1-aminocyclopentyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 54916657
(2-amino-1-methylcyclopentyl)-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone
CID 107220062
3-[4-(2-amino-1-methylcyclopentanecarbonyl)piperazin-1-yl]propanenitrile
CID 82768558
(2-amino-1-methylcyclopentyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 82765088

Frequently Asked Questions

What is the IUPAC name of (2-amino-1-methylcyclopentyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone?
The IUPAC name of (2-amino-1-methylcyclopentyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone (CID 82767947) is (2-amino-1-methylcyclopentyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone.
What is the SMILES notation for (2-amino-1-methylcyclopentyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone?
The canonical SMILES for (2-amino-1-methylcyclopentyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone is CC1(C(=O)N2CCC(N3CCCC3)CC2)CCCC1N.
What is the InChIKey of (2-amino-1-methylcyclopentyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone?
The InChIKey is HNDFZXUPQFZUKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-16(8-4-5-14(16)17)15(20)19-11-6-13(7-12-19)18-9-2-3-10-18/h13-14H,2-12,17H2,1H3.
What are the key properties of (2-amino-1-methylcyclopentyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone?
(2-amino-1-methylcyclopentyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone has a molecular weight of 279.43 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-1-methylcyclopentyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 82767947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).