1-[2-[4-(aminomethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]-2-phenylethanone;hydrochloride

C19H28ClN3O2 — CID 119423409

IUPAC1-[2-[4-(aminomethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]-2-phenylethanone;hydrochloride
SMILESCl.NCC1CCN(C(=O)C2CCCN2C(=O)Cc2ccccc2)CC1
InChIInChI=1S/C19H27N3O2.ClH/c20-14-16-8-11-21(12-9-16)19(24)17-7-4-10-22(17)18(23)13-15-5-2-1-3-6-15;/h1-3,5-6,16-17H,4,7-14,20H2;1H
InChIKeyRVKOHQRKVQHKGZ-UHFFFAOYSA-N
MW365.91 g/mol
LogP1.84
Rot. Bonds4

About 1-[2-[4-(aminomethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]-2-phenylethanone;hydrochloride

1-[2-[4-(aminomethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]-2-phenylethanone;hydrochloride (PubChem CID 119423409) has the molecular formula C19H28ClN3O2 and a molecular weight of 365.91 g/mol. Its IUPAC name is 1-[2-[4-(aminomethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]-2-phenylethanone;hydrochloride.

Molecular Properties

Compound Name1-[2-[4-(aminomethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]-2-phenylethanone;hydrochloride
PubChem CID119423409
Molecular FormulaC19H28ClN3O2
Molecular Weight365.91 g/mol
Exact Mass365.19
IUPAC Name1-[2-[4-(aminomethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]-2-phenylethanone;hydrochloride
SMILESCl.NCC1CCN(C(=O)C2CCCN2C(=O)Cc2ccccc2)CC1
InChIInChI=1S/C19H27N3O2.ClH/c20-14-16-8-11-21(12-9-16)19(24)17-7-4-10-22(17)18(23)13-15-5-2-1-3-6-15;/h1-3,5-6,16-17H,4,7-14,20H2;1H
InChIKeyRVKOHQRKVQHKGZ-UHFFFAOYSA-N
XLogP1.84
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.91
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-aminopiperidine-1-carbonyl)pyrrolidin-1-yl]-2-phenylethanone
CID 119374745
2-phenyl-1-[2-(4-phenylpiperidine-1-carbonyl)pyrrolidin-1-yl]ethanone
CID 47721714
1-[2-[4-(3-aminopropoxy)piperidine-1-carbonyl]pyrrolidin-1-yl]-2-phenylethanone
CID 119663026
1-[2-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-2-phenylethanone
CID 110023505
1-[(2R)-2-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)pyrrolidin-1-yl]-2-phenylethanone
CID 124888269
1-[3-[3-(aminomethyl)pyrrolidine-1-carbonyl]piperidin-1-yl]-2-phenylethanone;hydrochloride
CID 119487183
1-[2-[3-(methylaminomethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]-2-phenylethanone
CID 119396751
1-[3-(aminomethyl)piperidin-1-yl]-2-phenylethanone;hydrochloride
CID 119465087
1-[2-[4-(2-nitrophenyl)piperazine-1-carbonyl]pyrrolidin-1-yl]-2-phenylethanone
CID 60585036
(2S)-N-oxo-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
CID 89035815
4-phenyl-1-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]butan-1-one
CID 3081017
N-cyclopropyl-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
CID 47164597

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(aminomethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]-2-phenylethanone;hydrochloride?
The IUPAC name of 1-[2-[4-(aminomethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]-2-phenylethanone;hydrochloride (CID 119423409) is 1-[2-[4-(aminomethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]-2-phenylethanone;hydrochloride.
What is the SMILES notation for 1-[2-[4-(aminomethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]-2-phenylethanone;hydrochloride?
The canonical SMILES for 1-[2-[4-(aminomethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]-2-phenylethanone;hydrochloride is Cl.NCC1CCN(C(=O)C2CCCN2C(=O)Cc2ccccc2)CC1.
What is the InChIKey of 1-[2-[4-(aminomethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]-2-phenylethanone;hydrochloride?
The InChIKey is RVKOHQRKVQHKGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2.ClH/c20-14-16-8-11-21(12-9-16)19(24)17-7-4-10-22(17)18(23)13-15-5-2-1-3-6-15;/h1-3,5-6,16-17H,4,7-14,20H2;1H.
What are the key properties of 1-[2-[4-(aminomethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]-2-phenylethanone;hydrochloride?
1-[2-[4-(aminomethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]-2-phenylethanone;hydrochloride has a molecular weight of 365.91 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(aminomethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]-2-phenylethanone;hydrochloride is sourced from PubChem (CID 119423409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).