(2R)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-(piperidin-1-ylamino)propan-1-one

C19H36N4O — CID 91087564

IUPAC(2R)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-(piperidin-1-ylamino)propan-1-one
SMILESC[C@@H](NN1CCCCC1)C(=O)N1CCC(C2CCN(C)CC2)CC1
InChIInChI=1S/C19H36N4O/c1-16(20-23-10-4-3-5-11-23)19(24)22-14-8-18(9-15-22)17-6-12-21(2)13-7-17/h16-18,20H,3-15H2,1-2H3/t16-/m1/s1
InChIKeySNGWSGIBOIHLSW-MRXNPFEDSA-N
MW336.52 g/mol
LogP1.95
Rot. Bonds4

About (2R)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-(piperidin-1-ylamino)propan-1-one

(2R)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-(piperidin-1-ylamino)propan-1-one (PubChem CID 91087564) has the molecular formula C19H36N4O and a molecular weight of 336.52 g/mol. Its IUPAC name is (2R)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-(piperidin-1-ylamino)propan-1-one.

Molecular Properties

Compound Name(2R)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-(piperidin-1-ylamino)propan-1-one
PubChem CID91087564
Molecular FormulaC19H36N4O
Molecular Weight336.52 g/mol
Exact Mass336.29
IUPAC Name(2R)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-(piperidin-1-ylamino)propan-1-one
SMILESC[C@@H](NN1CCCCC1)C(=O)N1CCC(C2CCN(C)CC2)CC1
InChIInChI=1S/C19H36N4O/c1-16(20-23-10-4-3-5-11-23)19(24)22-14-8-18(9-15-22)17-6-12-21(2)13-7-17/h16-18,20H,3-15H2,1-2H3/t16-/m1/s1
InChIKeySNGWSGIBOIHLSW-MRXNPFEDSA-N
XLogP1.95
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.52
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-(piperidin-1-ylamino)propan-1-one with MolForge

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Related Compounds

(1S,8R,11S,18R,21S,24R)-10,11-dimethyl-21-(2-methylpropyl)-24-((S)-1-methylpropyl)-3,4,10,13,14,20,23,26,27-nonaazatetracyclo(24.4.0.03,8.013,18)triacontane-2,9,12,19,22,25-hexaone
CID 76335330
24-Butan-2-yl-10,11-dimethyl-21-(2-methylpropyl)-3,4,10,13,14,20,23,26,27-nonazatetracyclo[24.4.0.03,8.013,18]triacontane-2,9,12,19,22,25-hexone
CID 86576276
2-methyl-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]propanehydrazide
CID 19044860
(2R)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-3-piperidin-1-ylpropan-1-one;hydrochloride
CID 23540153
(2R)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-3-piperidin-1-ylpropan-1-one
CID 23540154
1-[beta-dimethylamino-D-alaninyl]-4-(1-methylpiperidin-4-yl)piperidine
CID 23540158
(2R)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-(piperidin-1-ylamino)propan-1-one;hydrochloride
CID 23540197
(2R)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-(piperidin-1-ylamino)propan-1-one
CID 23540198
2-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-2-[(2,2,6,6-tetramethylpiperidin-4-yl)-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]amino]propanamide
CID 67717628
(2R)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-(morpholin-4-ylamino)propan-1-one
CID 90783541
(2R)-2-(2,2-dimethylhydrazinyl)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]propan-1-one
CID 90891644
(2S)-2-amino-1-[4-(1-methylpiperidin-4-yl)-2-piperidin-1-ylpiperidin-1-yl]propan-1-one
CID 91091344

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-(piperidin-1-ylamino)propan-1-one?
The IUPAC name of (2R)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-(piperidin-1-ylamino)propan-1-one (CID 91087564) is (2R)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-(piperidin-1-ylamino)propan-1-one.
What is the SMILES notation for (2R)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-(piperidin-1-ylamino)propan-1-one?
The canonical SMILES for (2R)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-(piperidin-1-ylamino)propan-1-one is C[C@@H](NN1CCCCC1)C(=O)N1CCC(C2CCN(C)CC2)CC1.
What is the InChIKey of (2R)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-(piperidin-1-ylamino)propan-1-one?
The InChIKey is SNGWSGIBOIHLSW-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H36N4O/c1-16(20-23-10-4-3-5-11-23)19(24)22-14-8-18(9-15-22)17-6-12-21(2)13-7-17/h16-18,20H,3-15H2,1-2H3/t16-/m1/s1.
What are the key properties of (2R)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-(piperidin-1-ylamino)propan-1-one?
(2R)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-(piperidin-1-ylamino)propan-1-one has a molecular weight of 336.52 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-(piperidin-1-ylamino)propan-1-one is sourced from PubChem (CID 91087564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).