N-(3-cyclohexyloxypropyl)-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetamide

C21H37N3O3 — CID 87015240

IUPACN-(3-cyclohexyloxypropyl)-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetamide
SMILESO=C(CN1CCC(C(=O)N2CCCC2)CC1)NCCCOC1CCCCC1
InChIInChI=1S/C21H37N3O3/c25-20(22-11-6-16-27-19-7-2-1-3-8-19)17-23-14-9-18(10-15-23)21(26)24-12-4-5-13-24/h18-19H,1-17H2,(H,22,25)
InChIKeyDLNVDQSXTACKKP-UHFFFAOYSA-N
MW379.55 g/mol
LogP2.18
Rot. Bonds8

About N-(3-cyclohexyloxypropyl)-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetamide

N-(3-cyclohexyloxypropyl)-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetamide (PubChem CID 87015240) has the molecular formula C21H37N3O3 and a molecular weight of 379.55 g/mol. Its IUPAC name is N-(3-cyclohexyloxypropyl)-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-cyclohexyloxypropyl)-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetamide
PubChem CID87015240
Molecular FormulaC21H37N3O3
Molecular Weight379.55 g/mol
Exact Mass379.28
IUPAC NameN-(3-cyclohexyloxypropyl)-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetamide
SMILESO=C(CN1CCC(C(=O)N2CCCC2)CC1)NCCCOC1CCCCC1
InChIInChI=1S/C21H37N3O3/c25-20(22-11-6-16-27-19-7-2-1-3-8-19)17-23-14-9-18(10-15-23)21(26)24-12-4-5-13-24/h18-19H,1-17H2,(H,22,25)
InChIKeyDLNVDQSXTACKKP-UHFFFAOYSA-N
XLogP2.18
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.55
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(3-cyclohexyloxypropylamino)-2-oxoethyl]piperidine-4-carboxylic acid
CID 119908413
N-(2-methoxyethyl)-2-[4-(piperidine-1-carbonyl)piperidin-1-yl]acetamide
CID 51072787
N-(cyclohexylmethyl)-2-[4-(piperidine-1-carbonyl)piperidin-1-yl]acetamide
CID 86908445
N-(2-methylpropyl)-2-[4-(piperidine-1-carbonyl)piperidin-1-yl]acetamide
CID 78788315
1-[2-(3-cyclohexyloxypropylamino)-2-oxoethyl]-5-methylpiperidine-3-carboxylic acid
CID 122121407
N-(3-cyclohexyloxypropyl)-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide
CID 60504287
N-(3-cyclohexyloxypropyl)-2-(prop-2-ynylamino)acetamide
CID 79286966
3-amino-N-(3-cyclohexyloxypropyl)propanamide
CID 61275390
N-(3-cyclohexyloxypropyl)-2-(2-oxo-1-pyridinyl)acetamide
CID 74246595
N-cyclopropyl-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetamide
CID 134058309
2-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-N-(3-cyclohexyloxypropyl)acetamide
CID 96549639
N-(3-cyclopentyloxypropyl)-1-[(2S)-oxolane-2-carbonyl]piperidine-4-carboxamide
CID 125438596

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclohexyloxypropyl)-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetamide?
The IUPAC name of N-(3-cyclohexyloxypropyl)-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetamide (CID 87015240) is N-(3-cyclohexyloxypropyl)-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-(3-cyclohexyloxypropyl)-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetamide?
The canonical SMILES for N-(3-cyclohexyloxypropyl)-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetamide is O=C(CN1CCC(C(=O)N2CCCC2)CC1)NCCCOC1CCCCC1.
What is the InChIKey of N-(3-cyclohexyloxypropyl)-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetamide?
The InChIKey is DLNVDQSXTACKKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H37N3O3/c25-20(22-11-6-16-27-19-7-2-1-3-8-19)17-23-14-9-18(10-15-23)21(26)24-12-4-5-13-24/h18-19H,1-17H2,(H,22,25).
What are the key properties of N-(3-cyclohexyloxypropyl)-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetamide?
N-(3-cyclohexyloxypropyl)-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetamide has a molecular weight of 379.55 g/mol, XLogP of 2.18, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclohexyloxypropyl)-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetamide is sourced from PubChem (CID 87015240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).