[3-(methylamino)piperidin-1-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone;hydrochloride

C17H31ClN4O2 — CID 119491186

IUPAC[3-(methylamino)piperidin-1-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone;hydrochloride
SMILESCNC1CCCN(C(=O)C2CCN(C(=O)N3CCCC3)CC2)C1.Cl
InChIInChI=1S/C17H30N4O2.ClH/c1-18-15-5-4-10-21(13-15)16(22)14-6-11-20(12-7-14)17(23)19-8-2-3-9-19;/h14-15,18H,2-13H2,1H3;1H
InChIKeyGMRAZSMGCAAKDM-UHFFFAOYSA-N
MW358.91 g/mol
LogP1.55
Rot. Bonds2

About [3-(methylamino)piperidin-1-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone;hydrochloride

[3-(methylamino)piperidin-1-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone;hydrochloride (PubChem CID 119491186) has the molecular formula C17H31ClN4O2 and a molecular weight of 358.91 g/mol. Its IUPAC name is [3-(methylamino)piperidin-1-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone;hydrochloride.

Molecular Properties

Compound Name[3-(methylamino)piperidin-1-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone;hydrochloride
PubChem CID119491186
Molecular FormulaC17H31ClN4O2
Molecular Weight358.91 g/mol
Exact Mass358.21
IUPAC Name[3-(methylamino)piperidin-1-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone;hydrochloride
SMILESCNC1CCCN(C(=O)C2CCN(C(=O)N3CCCC3)CC2)C1.Cl
InChIInChI=1S/C17H30N4O2.ClH/c1-18-15-5-4-10-21(13-15)16(22)14-6-11-20(12-7-14)17(23)19-8-2-3-9-19;/h14-15,18H,2-13H2,1H3;1H
InChIKeyGMRAZSMGCAAKDM-UHFFFAOYSA-N
XLogP1.55
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.91
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopropyl-[(3S)-3-(methylamino)piperidin-1-yl]methanone
CID 94475773
cyclooctyl-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119493060
cyclohexyl-[(3S)-3-(methylamino)piperidin-1-yl]methanone
CID 94475779
[3-(methylamino)piperidin-1-yl]-(oxan-4-yl)methanone;hydrochloride
CID 119487408
[4-(methylamino)piperidin-1-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]methanone;hydrochloride
CID 119563390
(4-tert-butylcyclohexyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 62718074
1-[(3S)-3-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 172646124
[3-(methylamino)piperidin-1-yl]-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone;hydrochloride
CID 119491917
1-[4-[3-(methylamino)piperidine-1-carbonyl]piperidin-1-yl]-3-phenylpropan-1-one;hydrochloride
CID 119487743
(1-ethylsulfonylpiperidin-3-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119490378
1-[3-[3-(methylamino)piperidine-1-carbonyl]piperidin-1-yl]butan-1-one;hydrochloride
CID 119492016
[3-(methylamino)pyrrolidin-1-yl]-(oxan-4-yl)methanone
CID 81468978

Frequently Asked Questions

What is the IUPAC name of [3-(methylamino)piperidin-1-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone;hydrochloride?
The IUPAC name of [3-(methylamino)piperidin-1-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone;hydrochloride (CID 119491186) is [3-(methylamino)piperidin-1-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone;hydrochloride.
What is the SMILES notation for [3-(methylamino)piperidin-1-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone;hydrochloride?
The canonical SMILES for [3-(methylamino)piperidin-1-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone;hydrochloride is CNC1CCCN(C(=O)C2CCN(C(=O)N3CCCC3)CC2)C1.Cl.
What is the InChIKey of [3-(methylamino)piperidin-1-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone;hydrochloride?
The InChIKey is GMRAZSMGCAAKDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O2.ClH/c1-18-15-5-4-10-21(13-15)16(22)14-6-11-20(12-7-14)17(23)19-8-2-3-9-19;/h14-15,18H,2-13H2,1H3;1H.
What are the key properties of [3-(methylamino)piperidin-1-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone;hydrochloride?
[3-(methylamino)piperidin-1-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone;hydrochloride has a molecular weight of 358.91 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methylamino)piperidin-1-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone;hydrochloride is sourced from PubChem (CID 119491186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).