(4-aminopiperidin-1-yl)-(4-pentoxyphenyl)methanone

C17H26N2O2 — CID 92922661

IUPAC(4-aminopiperidin-1-yl)-(4-pentoxyphenyl)methanone
SMILESCCCCCOc1ccc(C(=O)N2CCC(N)CC2)cc1
InChIInChI=1S/C17H26N2O2/c1-2-3-4-13-21-16-7-5-14(6-8-16)17(20)19-11-9-15(18)10-12-19/h5-8,15H,2-4,9-13,18H2,1H3
InChIKeyKGRXNBQCCSIPNI-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.82
Rot. Bonds6

About (4-aminopiperidin-1-yl)-(4-pentoxyphenyl)methanone

(4-aminopiperidin-1-yl)-(4-pentoxyphenyl)methanone (PubChem CID 92922661) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is (4-aminopiperidin-1-yl)-(4-pentoxyphenyl)methanone.

Molecular Properties

Compound Name(4-aminopiperidin-1-yl)-(4-pentoxyphenyl)methanone
PubChem CID92922661
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name(4-aminopiperidin-1-yl)-(4-pentoxyphenyl)methanone
SMILESCCCCCOc1ccc(C(=O)N2CCC(N)CC2)cc1
InChIInChI=1S/C17H26N2O2/c1-2-3-4-13-21-16-7-5-14(6-8-16)17(20)19-11-9-15(18)10-12-19/h5-8,15H,2-4,9-13,18H2,1H3
InChIKeyKGRXNBQCCSIPNI-UHFFFAOYSA-N
XLogP2.82
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(3R)-3-aminopyrrolidin-1-yl]-(4-pentoxyphenyl)methanone
CID 119412519
ethyl 1-(4-pentoxybenzoyl)piperidine-4-carboxylate
CID 17230839
[3-(aminomethyl)pyrrolidin-1-yl]-(4-pentoxyphenyl)methanone
CID 119486348
(4-amino-3,3-dimethylpiperidin-1-yl)-(4-pentoxyphenyl)methanone
CID 120814614
1-(4-heptoxybenzoyl)piperidine-4-carbohydrazide
CID 54794046
(4-butoxyphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119543778
[4-[4-[4-(4-dodecoxybenzoyl)oxybenzoyl]oxypiperidine-1-carbonyl]phenyl] 4-dodecoxybenzoate
CID 102208723
morpholin-4-yl-[1-(4-pentoxybenzoyl)piperidin-4-yl]methanone
CID 112767205
(4-butoxyphenyl)-[3-(chloromethyl)pyrrolidin-1-yl]methanone
CID 63395660
(3-bromopyrrolidin-1-yl)-(4-butoxyphenyl)methanone
CID 80677906
(3-hydroxypiperidin-1-yl)-(4-pentoxyphenyl)methanone
CID 110878335
(3-aminopyrrolidin-1-yl)-(4-ethoxyphenyl)methanone
CID 62068283

Frequently Asked Questions

What is the IUPAC name of (4-aminopiperidin-1-yl)-(4-pentoxyphenyl)methanone?
The IUPAC name of (4-aminopiperidin-1-yl)-(4-pentoxyphenyl)methanone (CID 92922661) is (4-aminopiperidin-1-yl)-(4-pentoxyphenyl)methanone.
What is the SMILES notation for (4-aminopiperidin-1-yl)-(4-pentoxyphenyl)methanone?
The canonical SMILES for (4-aminopiperidin-1-yl)-(4-pentoxyphenyl)methanone is CCCCCOc1ccc(C(=O)N2CCC(N)CC2)cc1.
What is the InChIKey of (4-aminopiperidin-1-yl)-(4-pentoxyphenyl)methanone?
The InChIKey is KGRXNBQCCSIPNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-2-3-4-13-21-16-7-5-14(6-8-16)17(20)19-11-9-15(18)10-12-19/h5-8,15H,2-4,9-13,18H2,1H3.
What are the key properties of (4-aminopiperidin-1-yl)-(4-pentoxyphenyl)methanone?
(4-aminopiperidin-1-yl)-(4-pentoxyphenyl)methanone has a molecular weight of 290.41 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminopiperidin-1-yl)-(4-pentoxyphenyl)methanone is sourced from PubChem (CID 92922661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).