(2R)-2-amino-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-N-(pyridin-4-ylmethyl)propanamide

C21H35N5O — CID 72851020

IUPAC(2R)-2-amino-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-N-(pyridin-4-ylmethyl)propanamide
SMILESC[C@@H](N)C(=O)N(Cc1ccncc1)CC1CCN(C2CCN(C)CC2)CC1
InChIInChI=1S/C21H35N5O/c1-17(22)21(27)26(15-18-3-9-23-10-4-18)16-19-5-13-25(14-6-19)20-7-11-24(2)12-8-20/h3-4,9-10,17,19-20H,5-8,11-16,22H2,1-2H3/t17-/m1/s1
InChIKeyBIPRPUBPCTUALH-QGZVFWFLSA-N
MW373.55 g/mol
LogP1.56
Rot. Bonds6

About (2R)-2-amino-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-N-(pyridin-4-ylmethyl)propanamide

(2R)-2-amino-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-N-(pyridin-4-ylmethyl)propanamide (PubChem CID 72851020) has the molecular formula C21H35N5O and a molecular weight of 373.55 g/mol. Its IUPAC name is (2R)-2-amino-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-N-(pyridin-4-ylmethyl)propanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-N-(pyridin-4-ylmethyl)propanamide
PubChem CID72851020
Molecular FormulaC21H35N5O
Molecular Weight373.55 g/mol
Exact Mass373.28
IUPAC Name(2R)-2-amino-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-N-(pyridin-4-ylmethyl)propanamide
SMILESC[C@@H](N)C(=O)N(Cc1ccncc1)CC1CCN(C2CCN(C)CC2)CC1
InChIInChI=1S/C21H35N5O/c1-17(22)21(27)26(15-18-3-9-23-10-4-18)16-19-5-13-25(14-6-19)20-7-11-24(2)12-8-20/h3-4,9-10,17,19-20H,5-8,11-16,22H2,1-2H3/t17-/m1/s1
InChIKeyBIPRPUBPCTUALH-QGZVFWFLSA-N
XLogP1.56
TPSA65.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.55
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-N-(pyridin-4-ylmethyl)propanamide?
The IUPAC name of (2R)-2-amino-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-N-(pyridin-4-ylmethyl)propanamide (CID 72851020) is (2R)-2-amino-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-N-(pyridin-4-ylmethyl)propanamide.
What is the SMILES notation for (2R)-2-amino-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-N-(pyridin-4-ylmethyl)propanamide?
The canonical SMILES for (2R)-2-amino-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-N-(pyridin-4-ylmethyl)propanamide is C[C@@H](N)C(=O)N(Cc1ccncc1)CC1CCN(C2CCN(C)CC2)CC1.
What is the InChIKey of (2R)-2-amino-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-N-(pyridin-4-ylmethyl)propanamide?
The InChIKey is BIPRPUBPCTUALH-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H35N5O/c1-17(22)21(27)26(15-18-3-9-23-10-4-18)16-19-5-13-25(14-6-19)20-7-11-24(2)12-8-20/h3-4,9-10,17,19-20H,5-8,11-16,22H2,1-2H3/t17-/m1/s1.
What are the key properties of (2R)-2-amino-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-N-(pyridin-4-ylmethyl)propanamide?
(2R)-2-amino-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-N-(pyridin-4-ylmethyl)propanamide has a molecular weight of 373.55 g/mol, XLogP of 1.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-N-(pyridin-4-ylmethyl)propanamide is sourced from PubChem (CID 72851020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).