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

C18H35N5O — CID 23540198

IUPAC(2R)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-(piperidin-1-ylamino)propan-1-one
SMILESC[C@@H](NN1CCCCC1)C(=O)N1CCN(C2CCN(C)CC2)CC1
InChIInChI=1S/C18H35N5O/c1-16(19-23-8-4-3-5-9-23)18(24)22-14-12-21(13-15-22)17-6-10-20(2)11-7-17/h16-17,19H,3-15H2,1-2H3/t16-/m1/s1
InChIKeyRZVDPCBCLMBWRA-MRXNPFEDSA-N
MW337.51 g/mol
LogP0.60
Rot. Bonds4

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

(2R)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-(piperidin-1-ylamino)propan-1-one (PubChem CID 23540198) has the molecular formula C18H35N5O and a molecular weight of 337.51 g/mol. Its IUPAC name is (2R)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-(piperidin-1-ylamino)propan-1-one.

Molecular Properties

Compound Name(2R)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-(piperidin-1-ylamino)propan-1-one
PubChem CID23540198
Molecular FormulaC18H35N5O
Molecular Weight337.51 g/mol
Exact Mass337.28
IUPAC Name(2R)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-(piperidin-1-ylamino)propan-1-one
SMILESC[C@@H](NN1CCCCC1)C(=O)N1CCN(C2CCN(C)CC2)CC1
InChIInChI=1S/C18H35N5O/c1-16(19-23-8-4-3-5-9-23)18(24)22-14-12-21(13-15-22)17-6-10-20(2)11-7-17/h16-17,19H,3-15H2,1-2H3/t16-/m1/s1
InChIKeyRZVDPCBCLMBWRA-MRXNPFEDSA-N
XLogP0.60
TPSA42.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.51
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

(2R)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-piperidin-1-ylpropan-1-one
CID 23540194
(2R)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-(piperidin-1-ylamino)propan-1-one;hydrochloride
CID 23540197
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
2-(3-Aminopiperidin-1-yl)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]ethanone
CID 68647376
(2R)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-piperidin-1-ylpropan-1-one;hydrochloride
CID 69330712
(2R)-2-[(1-methylpiperidin-4-yl)amino]-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]propan-1-one
CID 90782046
(2R)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-(piperidin-1-ylamino)propan-1-one
CID 91087564
(2R)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-(morpholin-4-ylamino)propan-1-one
CID 91231825
[5-(Piperidin-1-ylmethyl)piperazin-2-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 141128816
2-Amino-3-piperidin-1-yl-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one
CID 143075408
1-(4-Hydrazinylpiperidin-1-yl)ethanone;1-[4-[methyl(methylamino)amino]piperidin-1-yl]ethanone
CID 159416475
2-(4-Aminopiperazin-1-yl)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]ethanone
CID 166945907

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-(piperidin-1-ylamino)propan-1-one?
The IUPAC name of (2R)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-(piperidin-1-ylamino)propan-1-one (CID 23540198) is (2R)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-(piperidin-1-ylamino)propan-1-one.
What is the SMILES notation for (2R)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-(piperidin-1-ylamino)propan-1-one?
The canonical SMILES for (2R)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-(piperidin-1-ylamino)propan-1-one is C[C@@H](NN1CCCCC1)C(=O)N1CCN(C2CCN(C)CC2)CC1.
What is the InChIKey of (2R)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-(piperidin-1-ylamino)propan-1-one?
The InChIKey is RZVDPCBCLMBWRA-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H35N5O/c1-16(19-23-8-4-3-5-9-23)18(24)22-14-12-21(13-15-22)17-6-10-20(2)11-7-17/h16-17,19H,3-15H2,1-2H3/t16-/m1/s1.
What are the key properties of (2R)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-(piperidin-1-ylamino)propan-1-one?
(2R)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-(piperidin-1-ylamino)propan-1-one has a molecular weight of 337.51 g/mol, XLogP of 0.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-(piperidin-1-ylamino)propan-1-one is sourced from PubChem (CID 23540198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).